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4-(1H-imidazol-1-ylmethyl)-1-[4-(piperidin-1-ylmethyl)benzoyl]piperidine

ChemBase ID: 321510
Molecular Formular: C22H30N4O
Molecular Mass: 366.4998
Monoisotopic Mass: 366.2419616
SMILES and InChIs

SMILES:
C(=O)(N1CCC(Cn2cncc2)CC1)c1ccc(CN2CCCCC2)cc1
Canonical SMILES:
O=C(c1ccc(cc1)CN1CCCCC1)N1CCC(CC1)Cn1cncc1
InChI:
InChI=1S/C22H30N4O/c27-22(26-13-8-20(9-14-26)17-25-15-10-23-18-25)21-6-4-19(5-7-21)16-24-11-2-1-3-12-24/h4-7,10,15,18,20H,1-3,8-9,11-14,16-17H2
InChIKey:
PHECLQKOALISOS-UHFFFAOYSA-N

Cite this record

CBID:321510 http://www.chembase.cn/molecule-321510.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1H-imidazol-1-ylmethyl)-1-[4-(piperidin-1-ylmethyl)benzoyl]piperidine
IUPAC Traditional name
4-(imidazol-1-ylmethyl)-1-[4-(piperidin-1-ylmethyl)benzoyl]piperidine
Synonyms
4-(1H-imidazol-1-ylmethyl)-1-[4-(1-piperidinylmethyl)benzoyl]piperidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11162304 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -1.266081  LogD (pH = 7.4) 0.8165044 
Log P 2.4386904  Molar Refractivity 109.805 cm3
Polarizability 41.653515 Å3 Polar Surface Area 41.37 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.31  LOG S -2.99 
Polar Surface Area 41.37 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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